P9T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F15 | C14 | sing | 1.35Å | 1.37Å | |
| C13 | C14 | doub | 1.39Å | 1.33Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.33Å | Aromatic |
| F12 | C11 | sing | 1.35Å | 1.33Å | |
| C11 | C10 | doub | 1.40Å | 1.43Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| O07 | P06 | doub | 1.48Å | 1.50Å | |
| C10 | C17 | sing | 1.41Å | 1.38Å | Aromatic |
| C10 | C04 | sing | 1.46Å | 1.47Å | |
| C17 | O18 | sing | 1.35Å | 1.31Å | |
| O09 | P06 | sing | 1.61Å | 1.59Å | |
| P06 | C05 | sing | 1.82Å | 1.84Å | |
| P06 | O08 | sing | 1.61Å | 1.51Å | |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| C04 | C03 | doub | 1.36Å | 1.36Å | |
| O18 | C02 | sing | 1.34Å | 1.32Å | |
| C03 | C02 | sing | 1.41Å | 1.41Å | |
| C02 | O01 | doub | 1.22Å | 1.15Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| O08 | H6 | sing | 0.97Å | 0.95Å | |
| O09 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F15 | C14 | C13 | 113.6° | 119.6° |
| F15 | C14 | C16 | 121.9° | 119.7° |
| C14 | C13 | C11 | 121.5° | 120.2° |
| C13 | C14 | C16 | 124.5° | 120.7° |
| C14 | C13 | H4 | 119.3° | 119.9° |
| C13 | C11 | F12 | 117.0° | 120.2° |
| C13 | C11 | C10 | 117.2° | 119.6° |
| C11 | C13 | H4 | 119.2° | 119.9° |
| C14 | C16 | C17 | 117.2° | 120.0° |
| C14 | C16 | H5 | 121.4° | 120.0° |
| F12 | C11 | C10 | 125.7° | 120.2° |
| C11 | C10 | C17 | 118.9° | 120.0° |
| C11 | C10 | C04 | 122.7° | 121.0° |
| C16 | C17 | C10 | 120.7° | 119.5° |
| C16 | C17 | O18 | 121.2° | 120.7° |
| C17 | C16 | H5 | 121.4° | 120.0° |
| O07 | P06 | O09 | 108.3° | 109.5° |
| O07 | P06 | C05 | 111.0° | 109.5° |
| O07 | P06 | O08 | 116.4° | 109.4° |
| C17 | C10 | C04 | 118.4° | 119.0° |
| C10 | C17 | O18 | 118.1° | 119.8° |
| C10 | C04 | C05 | 121.7° | 120.9° |
| C10 | C04 | C03 | 119.8° | 118.2° |
| C17 | O18 | C02 | 126.0° | 121.4° |
| O09 | P06 | C05 | 105.2° | 109.5° |
| O09 | P06 | O08 | 110.1° | 109.5° |
| P06 | O09 | H7 | 109.5° | 114.0° |
| C05 | P06 | O08 | 105.2° | 109.4° |
| P06 | C05 | C04 | 108.5° | 109.4° |
| P06 | C05 | H2 | 109.7° | 109.5° |
| P06 | C05 | H3 | 109.7° | 109.5° |
| P06 | O08 | H6 | 109.5° | 114.0° |
| C05 | C04 | C03 | 118.4° | 120.9° |
| C04 | C05 | H2 | 109.7° | 109.5° |
| C04 | C05 | H3 | 109.7° | 109.5° |
| C04 | C03 | C02 | 118.0° | 119.8° |
| C04 | C03 | H1 | 121.0° | 120.1° |
| O18 | C02 | C03 | 119.6° | 121.7° |
| O18 | C02 | O01 | 123.9° | 119.1° |
| C03 | C02 | O01 | 116.2° | 119.2° |
| C02 | C03 | H1 | 121.0° | 120.1° |
| H2 | C05 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F15 | C14 | C13 | C16 | 179.3° | 180.0° |
| F15 | C14 | C13 | C11 | 180.0° | 180.0° |
| F15 | C14 | C16 | C17 | 179.6° | 180.0° |
| F15 | C14 | C13 | H4 | 0.0° | 0.0° |
| F15 | C14 | C16 | H5 | 0.4° | 0.1° |
| C14 | C13 | C11 | H4 | 180.0° | 179.9° |
| C14 | C13 | C11 | F12 | 180.0° | 180.0° |
| C14 | C13 | C11 | C10 | 0.0° | 0.0° |
| C13 | C14 | C16 | C17 | 0.3° | 0.1° |
| C13 | C14 | C16 | H5 | 179.7° | 180.0° |
| C11 | C13 | C14 | C16 | 0.7° | 0.0° |
| C13 | C11 | F12 | C10 | 180.0° | 179.9° |
| C13 | C11 | C10 | C17 | 1.0° | 0.1° |
| C13 | C11 | C10 | C04 | 178.2° | 179.7° |
| C14 | C16 | C17 | H5 | 180.0° | 179.9° |
| C14 | C16 | C17 | C10 | 0.7° | 0.0° |
| C14 | C16 | C17 | O18 | 178.5° | 180.0° |
| C16 | C14 | C13 | H4 | 179.3° | 180.0° |
| F12 | C11 | C10 | C17 | 179.1° | 180.0° |
| F12 | C11 | C10 | C04 | 1.9° | 0.4° |
| F12 | C11 | C13 | H4 | 0.0° | 0.0° |
| C11 | C10 | C17 | C16 | 1.4° | 0.0° |
| C11 | C10 | C17 | C04 | 177.3° | 179.7° |
| C11 | C10 | C17 | O18 | 179.2° | 180.0° |
| C11 | C10 | C04 | C05 | 3.9° | 0.3° |
| C11 | C10 | C04 | C03 | 179.2° | 179.7° |
| C10 | C11 | C13 | H4 | 180.0° | 179.9° |
| C16 | C17 | C10 | O18 | 177.9° | 180.0° |
| C16 | C17 | C10 | C04 | 178.7° | 179.7° |
| C16 | C17 | O18 | C02 | 178.3° | 179.4° |
| O07 | P06 | O09 | C05 | 118.8° | 120.1° |
| O07 | P06 | O09 | O08 | 128.3° | 120.0° |
| O07 | P06 | C05 | O08 | 126.8° | 120.0° |
| O07 | P06 | C05 | C04 | 55.4° | 55.1° |
| O07 | P06 | C05 | H2 | 175.3° | 65.0° |
| O07 | P06 | C05 | H3 | 64.4° | 175.0° |
| O07 | P06 | O08 | H6 | 0.0° | 59.9° |
| O07 | P06 | O09 | H7 | 0.0° | 180.0° |
| C17 | C10 | C04 | C05 | 173.3° | 179.9° |
| C17 | C10 | C04 | C03 | 2.0° | 0.0° |
| C10 | C17 | O18 | C02 | 0.5° | 0.6° |
| C10 | C17 | C16 | H5 | 179.3° | 179.9° |
| C04 | C10 | C17 | O18 | 3.5° | 0.3° |
| C10 | C04 | C05 | P06 | 97.3° | 180.0° |
| C10 | C04 | C05 | C03 | 175.4° | 180.0° |
| C10 | C04 | C03 | C02 | 2.3° | 0.0° |
| C10 | C04 | C03 | H1 | 177.7° | 179.9° |
| C10 | C04 | C05 | H2 | 142.8° | 59.9° |
| C10 | C04 | C05 | H3 | 22.5° | 60.0° |
| C17 | O18 | C02 | C03 | 4.1° | 0.6° |
| C17 | O18 | C02 | O01 | 177.5° | 179.7° |
| O18 | C17 | C16 | H5 | 1.5° | 0.0° |
| O09 | P06 | C05 | O08 | 116.3° | 120.0° |
| O09 | P06 | C05 | C04 | 172.4° | 65.0° |
| O09 | P06 | C05 | H2 | 67.8° | 175.0° |
| O09 | P06 | C05 | H3 | 52.5° | 55.0° |
| O09 | P06 | O08 | H6 | 123.8° | 60.0° |
| P06 | C05 | C04 | H2 | 119.8° | 120.1° |
| P06 | C05 | C04 | H3 | 119.8° | 120.0° |
| P06 | C05 | C04 | C03 | 78.1° | 0.0° |
| P06 | C05 | H2 | H3 | 120.5° | 120.0° |
| C05 | P06 | O08 | H6 | 123.4° | 179.9° |
| C05 | P06 | O09 | H7 | 118.8° | 60.0° |
| O08 | P06 | C05 | C04 | 71.3° | 175.0° |
| O08 | P06 | C05 | H2 | 48.5° | 55.0° |
| O08 | P06 | C05 | H3 | 168.8° | 65.0° |
| O08 | P06 | O09 | H7 | 128.4° | 60.0° |
| C05 | C04 | C03 | C02 | 177.8° | 179.9° |
| C05 | C04 | C03 | H1 | 2.2° | 0.1° |
| C04 | C05 | H2 | H3 | 120.5° | 120.0° |
| C04 | C03 | C02 | O18 | 5.3° | 0.3° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | O01 | 179.2° | 179.9° |
| C03 | C04 | C05 | H2 | 41.8° | 120.0° |
| C03 | C04 | C05 | H3 | 162.1° | 120.0° |
| O18 | C02 | C03 | O01 | 173.9° | 179.6° |
| O18 | C02 | C03 | H1 | 174.7° | 179.6° |
| O01 | C02 | C03 | H1 | 0.8° | 0.0° |
